3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide

C11H18Cl2N2O2Si — CID 86688715

IUPAC3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
SMILESC[Si](C)(C)CCOCn1c(Cl)cc(Cl)c1C(N)=O
InChIInChI=1S/C11H18Cl2N2O2Si/c1-18(2,3)5-4-17-7-15-9(13)6-8(12)10(15)11(14)16/h6H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyOFMSWXPMGHTQNP-UHFFFAOYSA-N
MW309.27 g/mol
LogP3.21
Rot. Bonds6

About 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide

3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide (PubChem CID 86688715) has the molecular formula C11H18Cl2N2O2Si and a molecular weight of 309.27 g/mol. Its IUPAC name is 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
PubChem CID86688715
Molecular FormulaC11H18Cl2N2O2Si
Molecular Weight309.27 g/mol
Exact Mass308.05
IUPAC Name3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
SMILESC[Si](C)(C)CCOCn1c(Cl)cc(Cl)c1C(N)=O
InChIInChI=1S/C11H18Cl2N2O2Si/c1-18(2,3)5-4-17-7-15-9(13)6-8(12)10(15)11(14)16/h6H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyOFMSWXPMGHTQNP-UHFFFAOYSA-N
XLogP3.21
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
ethyl 5-bromo-7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carboxylate
CID 169003747
3-(2-bromoethyl)-4,6-dichloro-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylic acid
CID 152642755
[1-[4-[2,6-dichloro-1-(2-trimethylsilylethoxymethyl)indol-5-yl]phenyl]cyclopropyl]methyl acetate
CID 90419437
4-bromo-5-fluoro-2-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
CID 170781316
6-chloro-4-(oxolan-3-yloxy)-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one
CID 123838783
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 171623271
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide?
The IUPAC name of 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide (CID 86688715) is 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide is C[Si](C)(C)CCOCn1c(Cl)cc(Cl)c1C(N)=O.
What is the InChIKey of 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide?
The InChIKey is OFMSWXPMGHTQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N2O2Si/c1-18(2,3)5-4-17-7-15-9(13)6-8(12)10(15)11(14)16/h6H,4-5,7H2,1-3H3,(H2,14,16).
What are the key properties of 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide?
3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide has a molecular weight of 309.27 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 86688715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).